Abstract
In this investigation woven cotton fabric was dyed with madder dye under different dyeing conditions such as in the presence of without mordant, single mordant and mixed mordant. The thermal behaviour of non-mordanted,single mordanted and mixed chemical mordanted with madder dyed cotton fabrics were investigated through thermogravimetric analysis. Further, the fundamental molecular arrangement of dyed cotton fabric was confirmed by the Fourier transformer-Infrared spectroscopy, and the electronic orientation of dye molecule, and after adsorption of cellulose structure is confirmed from Ultra-Violet spectroscopy. HOMO and LUMO calculations are evaluated from the gaussian software. The interaction and binding energies between inhibitor (dye molecule) and cellulose surface are evaluated from molecular dynamic simulation using BIOVIA material studio software.